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88413-20-1 | Methanesulfonamide, N-[3-(dimethylamino)-4-nitrophenyl]-
CAS No: 88413-20-1 Catalog No: AG004HZC MDL No:
Product Description
Catalog Number:
AG004HZC
Chemical Name:
Methanesulfonamide, N-[3-(dimethylamino)-4-nitrophenyl]-
CAS Number:
88413-20-1
Molecular Formula:
C9H13N3O4S
Molecular Weight:
259.2822
IUPAC Name:
N-[3-(dimethylamino)-4-nitrophenyl]methanesulfonamide
InChI:
InChI=1S/C9H13N3O4S/c1-11(2)9-6-7(10-17(3,15)16)4-5-8(9)12(13)14/h4-6,10H,1-3H3
InChI Key:
YSJRFLJPEGYIPG-UHFFFAOYSA-N
SMILES:
CN(c1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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